@article{CTT100907339,
  author = {Akira Takahashi and Kei Terayama and Yu Kumagai and Ryo Tamura and Fumiyasu Oba},
  title = {Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system},
  journal = {Science and Technology of Advanced Materials: Methods},
  year = 2023,
}

@article{CTT100902908,
  author = {Tianwei Wang and Fumiyasu Oba},
  title = {Slab surface passivation and its application to band offset calculations for polar heterointerfaces of zinc-blende semiconductors},
  journal = {Physical Review Materials},
  year = 2023,
}

@article{CTT100902909,
  author = {Fumiyasu Oba},
  title = {Computational design and exploration of nitride and oxide semiconductors},
  journal = {Journal of the Ceramic Society of Japan},
  year = 2023,
}

@article{CTT100900119,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {Oxygen vacancies in α-(AlxGa1−x)2O3 alloys: a first-principles study},
  journal = {Applied Physics Express},
  year = 2023,
}

@article{CTT100895953,
  author = {Takafumi Yamamoto and Shogo Kawaguchi and Taiki Kosuge and Akira Sugai and Naoki Tsunoda and Yu Kumagai and Kosuke Beppu and Takuya Ohmi and Teppei Nagase and Kotaro Higashi and Kazuo Kato and Kiyofumi Nitta and Tomoya Uruga and Seiji Yamazoe and Fumiyasu Oba and Tsunehiro Tanaka and Masaki Azuma and Saburo Hosokawa},
  title = {Emergence of Dynamically‐Disordered Phases During Fast Oxygen Deintercalation Reaction of Layered Perovskite},
  journal = {Advanced Science},
  year = 2023,
}

@article{CTT100886978,
  author = {Yasuhide Mochizuki and Ha-Jun Sung and Tomoya Gake and Fumiyasu Oba},
  title = {Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles},
  journal = {Chemistry of Materials},
  year = 2023,
}

@article{CTT100886714,
  author = {R. Ishikawa and N. Shibata and F. Oba and T. Taniguchi and Y. Ikuhara},
  title = {Single-atom microscopy in wide-bandgap nitrides},
  journal = {International Journal of Applied Ceramic Technology},
  year = 2023,
}

@inproceedings{CTT100907978,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {Systematic analysis of oxygen vacancies in α-(AlxGa1-x )2O3 alloys using first-principles calculations},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907973,
  author = {Fumiyasu Oba},
  title = {Computational design and exploration of nitride and oxide semiconductors},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907455,
  author = {Y. Mochizuki and H.-J. Sung and T. Gake and F. Oba},
  title = {Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907982,
  author = {Teruya Nagafuji and Tomoya Gake and Akira Takahashi and Soungmin Bae and Fumiyasu Oba},
  title = {Defect formation and carrier compensation in La2SnO2S3: a first-principles study},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907979,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {第一原理計算によるα-(AlxGa1-x )2O3固溶体の酸素空孔の系統的解析},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907983,
  author = {Teruya Nagafuji and Tomoya Gake and 裵星旻 and Akira Takahashi and Fumiyasu Oba},
  title = {第一原理計算を用いたLa2SnO2S3におけるキャリア生成・補償機構の解明},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907397,
  author = {Keita Kono and Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {転移学習とベイズ最適化を用いた材料探索手法の開発},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907985,
  author = {Akira Takahashi and Fumiyasu Oba},
  title = {Autonomous Materials Screening Using High-Throughput Theoretical Calculation and Machine Learning},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907980,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {First-principles calculations of oxygen vacancies in α-(AlxGa1-x )2O3},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907981,
  author = {Ryosuke Nakagawa and Akira Takahashi and Nobuya Sato and Fumiyasu Oba},
  title = {Local environment analysis of oxides using clustering method},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907984,
  author = {Teruya Nagafuji and Tomoya Gake and Soungmin Bae and Akira Takahashi and Fumiyasu Oba},
  title = {First-principles study of point defect formation in La2SnO2S3},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907568,
  author = {Kosuke and Takayoshi Katase and Yu Kumagai and Naoki Tsunoda and Kou Harada and Fumiyasu Oba and HIDEO HOSONO},
  title = {Pd0価ドーピングによる窒化銅半導体のバンド構造制御と熱電特性},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907976,
  author = {Fumiyasu Oba},
  title = {第一原理計算による窒化物・酸化物半導体の設計と新材料開拓},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890848,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {α-(AlxGa1-x)2O3固溶体の電子状態の第一原理計算},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890850,
  author = {Fumiyasu Oba},
  title = {計算科学に立脚した窒化物･酸化物半導体の設計･探索},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890849,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {第一原理計算によるα-(AlxGa1-x)2O3固溶体の電子状態の系統的解析},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890846,
  author = {Fumiyasu Oba},
  title = {第一原理計算による窒化物･酸化物半導体の設計と新材料開拓},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100891084,
  author = {Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {機械学習を用いた自律的計算材料スクリーニングシステムの開発},
  booktitle = {},
  year = 2023,
}